1-Octyn-3-ol, 1-iodo-
TL;DR: 1-Octyn-3-ol, 1-iodo- (CAS 64822-81-7) is a chemical compound with molecular formula C8H13IO and molecular weight 252.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-iodooct-1-yn-3-ol
Also Known As: 1-iodooct-1-yn-3-ol, 1-Octyn-3-ol, 1-iodo-, 1-Octyn-3-ol,1-iodo, 1-Iodo-1-octyne-3-ol, J1.623.637C
| Molecular Formula | C8H13IO |
|---|---|
| Molecular Weight | 252.00 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 252.00111 |
| Heavy Atoms | 10 |
| Complexity | 131.0 |
Chemical Identifiers
| CAS Number | 64822-81-7 |
|---|---|
| SMILES | CCCCCC(C#CI)O |
| InChIKey | OGLPOSUJIRPIMI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Octyn-3-ol, 1-iodo- (CAS 64822-81-7), with molecular formula C8H13IO and molecular weight 252.00 g/mol. IUPAC: 1-iodooct-1-yn-3-ol.
Chemical Property Profile of 1-Octyn-3-ol, 1-iodo-
Property Insights of 1-Octyn-3-ol, 1-iodo-
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Octyn-3-ol, 1-iodo-. With a topological polar surface area (TPSA) of 20.2 Ų, 1-Octyn-3-ol, 1-iodo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Octyn-3-ol, 1-iodo- has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Octyn-3-ol, 1-iodo-?
The CAS number of 1-Octyn-3-ol, 1-iodo- is 64822-81-7.
What is the molecular formula of 1-Octyn-3-ol, 1-iodo-?
The molecular formula of 1-Octyn-3-ol, 1-iodo- is C8H13IO.
What is the molecular weight of 1-Octyn-3-ol, 1-iodo-?
The molecular weight of 1-Octyn-3-ol, 1-iodo- is 252.00 g/mol.
Where can I buy 1-Octyn-3-ol, 1-iodo-?
You can request a quote for 1-Octyn-3-ol, 1-iodo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Octyn-3-ol, 1-iodo-?
Yes, KEHONG BIO provides custom synthesis services for 1-Octyn-3-ol, 1-iodo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.